Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.4681 -0.3286 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 0.9010 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 0.6730 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 0.1143 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9124 -0.0555 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8834 -0.6180 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1982 -0.7536 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2817 -0.1235 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3391 -0.0600 -0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8756 -0.9307 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8335 -0.9987 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3562 1.3457 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 1.6634 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 1.6171 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3397 -0.0332 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7799 -0.9131 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4270 0.7816 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 0.9398 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8375 -0.6523 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5578 -1.5814 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9593 0.1291 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -1.3956 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2197 -0.2502 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2847 0.5294 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers